[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[[4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-isopropyl-ammonium CAS Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propan-2-ylazanium Traditional Name: benzyl-[[4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-isopropyl-ammonium Formula: C24H25ClN5S+ MolecularWeight: 451.0068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5S/c1-18(2)28(16-19-6-4-3-5-7-19)17-29-24(31)30(22-10-8-21(25)9-11-22)23(27-29)20-12-14-26-15-13-20/h3-15,18H,16-17H2,1-2H3/p+1